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A molecular dynamics study of chirality transfer: The impact of a chiral solute on an achiral solvent.

The Journal of chemical physics

Wang S, Cann NM.
PMID: 18698914
J Chem Phys. 2008 Aug 07;129(5):054507. doi: 10.1063/1.2958911.

A solvation shell may adapt to the presence of a chiral solute by becoming chiral. The extent of this chirality transfer and its dependence on the solute and solvent characteristics are explored in this article. Molecular dynamics simulations of...

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Wang S, Cann NM. A molecular dynamics study of chirality transfer: The impact of a chiral solute on an achiral solvent. J Chem Phys. 2008;129(5):054507doi: 10.1063/1.2958911.
Wang, S., & Cann, N. M. (2008). A molecular dynamics study of chirality transfer: The impact of a chiral solute on an achiral solvent. The Journal of chemical physics, 129(5), 054507. https://doi.org/10.1063/1.2958911
Wang, Shihao, and Cann, N M. "A molecular dynamics study of chirality transfer: The impact of a chiral solute on an achiral solvent." The Journal of chemical physics vol. 129,5 (2008): 054507. doi: https://doi.org/10.1063/1.2958911
Wang S, Cann NM. A molecular dynamics study of chirality transfer: The impact of a chiral solute on an achiral solvent. J Chem Phys. 2008 Aug 07;129(5):054507. doi: 10.1063/1.2958911. PMID: 18698914.
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Can Preoccupation with Alcohol Override the Protective Properties of Mindful Awareness on Problematic Drinking?.

Addictive disorders & their treatment

Bramm SM, Cohn AM, Hagman BT.
PMID: 23814503
Addict Disord Their Treat. 2013 Mar 01;12(1):19-27. doi: 10.1097/ADT.0b013e31824c886b.

OBJECTIVES: To assess the mediating role of drinking restraint- specifically preoccupation with drinking- on the associations between mindful awareness and alcohol consumption and alcohol-related problems.METHODS: 390 heavy-drinking, undergraduate, college students (52% male) were assessed on measures of mindfulness, drinking...

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Bramm SM, Cohn AM, Hagman BT. Can Preoccupation with Alcohol Override the Protective Properties of Mindful Awareness on Problematic Drinking?. Addict Disord Their Treat. 2013;12(1):19-27doi: 10.1097/ADT.0b013e31824c886b.
Bramm, S. M., Cohn, A. M., & Hagman, B. T. (2013). Can Preoccupation with Alcohol Override the Protective Properties of Mindful Awareness on Problematic Drinking?. Addictive disorders & their treatment, 12(1), 19-27. https://doi.org/10.1097/ADT.0b013e31824c886b
Bramm, Stephanie M, et al. "Can Preoccupation with Alcohol Override the Protective Properties of Mindful Awareness on Problematic Drinking?." Addictive disorders & their treatment vol. 12,1 (2013): 19-27. doi: https://doi.org/10.1097/ADT.0b013e31824c886b
Bramm SM, Cohn AM, Hagman BT. Can Preoccupation with Alcohol Override the Protective Properties of Mindful Awareness on Problematic Drinking?. Addict Disord Their Treat. 2013 Mar 01;12(1):19-27. doi: 10.1097/ADT.0b013e31824c886b. PMID: 23814503; PMCID: PMC3693770.
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Chloroquine treatment of ARPE-19 cells leads to lysosome dilation and intracellular lipid accumulation: possible implications of lysosomal dysfunction in macular degeneration.

Cell & bioscience

Chen PM, Gombart ZJ, Chen JW.
PMID: 21711726
Cell Biosci. 2011 Mar 08;1(1):10. doi: 10.1186/2045-3701-1-10.

BACKGROUND: Age-related macular degeneration (AMD) is the leading cause of vision loss in elderly people over 60. The pathogenesis is still unclear. It has been suggested that lysosomal stress may lead to drusen formation, a biomarker of AMD. In...

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Chen PM, Gombart ZJ, Chen JW. Chloroquine treatment of ARPE-19 cells leads to lysosome dilation and intracellular lipid accumulation: possible implications of lysosomal dysfunction in macular degeneration. Cell Biosci. 2011;1(1):10doi: 10.1186/2045-3701-1-10.
Chen, P. M., Gombart, Z. J., & Chen, J. W. (2011). Chloroquine treatment of ARPE-19 cells leads to lysosome dilation and intracellular lipid accumulation: possible implications of lysosomal dysfunction in macular degeneration. Cell & bioscience, 1(1), 10. https://doi.org/10.1186/2045-3701-1-10
Chen, Patrick M, et al. "Chloroquine treatment of ARPE-19 cells leads to lysosome dilation and intracellular lipid accumulation: possible implications of lysosomal dysfunction in macular degeneration." Cell & bioscience vol. 1,1 (2011): 10. doi: https://doi.org/10.1186/2045-3701-1-10
Chen PM, Gombart ZJ, Chen JW. Chloroquine treatment of ARPE-19 cells leads to lysosome dilation and intracellular lipid accumulation: possible implications of lysosomal dysfunction in macular degeneration. Cell Biosci. 2011 Mar 08;1(1):10. doi: 10.1186/2045-3701-1-10. PMID: 21711726; PMCID: PMC3125200.
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Differential effects of allosteric M(1) muscarinic acetylcholine receptor agonists on receptor activation, arrestin 3 recruitment, and receptor downregulation.

ACS chemical neuroscience

Davis AA, Heilman CJ, Brady AE, Miller NR, Fuerstenau-Sharp M, Hanson BJ, Lindsley CW, Conn PJ, Lah JJ, Levey AI.
PMID: 20835371
ACS Chem Neurosci. 2010 Aug 18;1(8):542-551. doi: 10.1021/cn100011e.

Muscarinic acetylcholine receptors (mAChRs) are drug targets for multiple neurodegenerative and neuropsychiatric disorders, but the full therapeutic potential of mAChR-targeted drugs has not been realized, mainly because of a lack of subtype-selective agonists. Recent advances have allowed the development...

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Davis AA, Heilman CJ, Brady AE, et al. Differential effects of allosteric M(1) muscarinic acetylcholine receptor agonists on receptor activation, arrestin 3 recruitment, and receptor downregulation. ACS Chem Neurosci. 2010;1(8):542-551doi: 10.1021/cn100011e.
Davis, A. A., Heilman, C. J., Brady, A. E., Miller, N. R., Fuerstenau-Sharp, M., Hanson, B. J., Lindsley, C. W., Conn, P. J., Lah, J. J., & Levey, A. I. (2010). Differential effects of allosteric M(1) muscarinic acetylcholine receptor agonists on receptor activation, arrestin 3 recruitment, and receptor downregulation. ACS chemical neuroscience, 1(8), 542-551. https://doi.org/10.1021/cn100011e
Davis, Albert A, et al. "Differential effects of allosteric M(1) muscarinic acetylcholine receptor agonists on receptor activation, arrestin 3 recruitment, and receptor downregulation." ACS chemical neuroscience vol. 1,8 (2010): 542-551. doi: https://doi.org/10.1021/cn100011e
Davis AA, Heilman CJ, Brady AE, Miller NR, Fuerstenau-Sharp M, Hanson BJ, Lindsley CW, Conn PJ, Lah JJ, Levey AI. Differential effects of allosteric M(1) muscarinic acetylcholine receptor agonists on receptor activation, arrestin 3 recruitment, and receptor downregulation. ACS Chem Neurosci. 2010 Aug 18;1(8):542-551. doi: 10.1021/cn100011e. PMID: 20835371; PMCID: PMC2936488.
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Molecular dynamics simulations to examine structure, energetics, and evaporation/condensation dynamics in small charged clusters of water or methanol containing a single monatomic ion.

The journal of physical chemistry. A

Daub CD, Cann NM.
PMID: 23030044
J Phys Chem A. 2012 Nov 01;116(43):10488-95. doi: 10.1021/jp308217q. Epub 2012 Oct 19.

We study small clusters of water or methanol containing a single Ca(2+), Na(+), or Cl(-) ion with classical molecular dynamics simulations, using models that incorporate polarizability via the Drude oscillator framework. Evaporation and condensation of solvent from these clusters...

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Daub CD, Cann NM. Molecular dynamics simulations to examine structure, energetics, and evaporation/condensation dynamics in small charged clusters of water or methanol containing a single monatomic ion. J Phys Chem A. 2012;116(43):10488-95doi: 10.1021/jp308217q.
Daub, C. D., & Cann, N. M. (2012). Molecular dynamics simulations to examine structure, energetics, and evaporation/condensation dynamics in small charged clusters of water or methanol containing a single monatomic ion. The journal of physical chemistry. A, 116(43), 10488-95. https://doi.org/10.1021/jp308217q
Daub, Christopher D, and Cann, Natalie M. "Molecular dynamics simulations to examine structure, energetics, and evaporation/condensation dynamics in small charged clusters of water or methanol containing a single monatomic ion." The journal of physical chemistry. A vol. 116,43 (2012): 10488-95. doi: https://doi.org/10.1021/jp308217q
Daub CD, Cann NM. Molecular dynamics simulations to examine structure, energetics, and evaporation/condensation dynamics in small charged clusters of water or methanol containing a single monatomic ion. J Phys Chem A. 2012 Nov 01;116(43):10488-95. doi: 10.1021/jp308217q. Epub 2012 Oct 19. PMID: 23030044.
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Advance in plasma SEPT9 gene methylation assay for colorectal cancer early detection.

World journal of gastrointestinal oncology

Wang Y, Chen PM, Liu RB.
PMID: 29375744
World J Gastrointest Oncol. 2018 Jan 15;10(1):15-22. doi: 10.4251/wjgo.v10.i1.15.

This review article summarizes the research advances of the plasma-based

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Wang Y, Chen PM, Liu RB. Advance in plasma SEPT9 gene methylation assay for colorectal cancer early detection. World J Gastrointest Oncol. 2018;10(1):15-22doi: 10.4251/wjgo.v10.i1.15.
Wang, Y., Chen, P. M., & Liu, R. B. (2018). Advance in plasma SEPT9 gene methylation assay for colorectal cancer early detection. World journal of gastrointestinal oncology, 10(1), 15-22. https://doi.org/10.4251/wjgo.v10.i1.15
Wang, Yu, et al. "Advance in plasma SEPT9 gene methylation assay for colorectal cancer early detection." World journal of gastrointestinal oncology vol. 10,1 (2018): 15-22. doi: https://doi.org/10.4251/wjgo.v10.i1.15
Wang Y, Chen PM, Liu RB. Advance in plasma SEPT9 gene methylation assay for colorectal cancer early detection. World J Gastrointest Oncol. 2018 Jan 15;10(1):15-22. doi: 10.4251/wjgo.v10.i1.15. PMID: 29375744; PMCID: PMC5767789.
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Emerging Subspecialties in Neurology: Medical education.

Neurology

Chen PM, Evans SJ.
PMID: 31383802
Neurology. 2019 Aug 06;93(6):273-276. doi: 10.1212/WNL.0000000000007904.

Medical education is the understanding of how medical knowledge is taught and practiced and encompasses not just medical students, but resident trainees, colleagues, and the community. While there is a growing emphasis in medicine on "clinician-educators," neurology training has...

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Chen PM, Evans SJ. Emerging Subspecialties in Neurology: Medical education. Neurology. 2019;93(6):273-276doi: 10.1212/WNL.0000000000007904.
Chen, P. M., & Evans, S. J. (2019). Emerging Subspecialties in Neurology: Medical education. Neurology, 93(6), 273-276. https://doi.org/10.1212/WNL.0000000000007904
Chen, Patrick M, and Evans, Sean J. "Emerging Subspecialties in Neurology: Medical education." Neurology vol. 93,6 (2019): 273-276. doi: https://doi.org/10.1212/WNL.0000000000007904
Chen PM, Evans SJ. Emerging Subspecialties in Neurology: Medical education. Neurology. 2019 Aug 06;93(6):273-276. doi: 10.1212/WNL.0000000000007904. PMID: 31383802.
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Discovery of N-Aryl Piperazines as Selective mGlu(5) Potentiators with Efficacy in a Rodent Model Predictive of Anti-Psychotic Activity.

ACS medicinal chemistry letters

Zhou Y, Manka JT, Rodriguez AL, Weaver CD, Days EL, Vinson PN, Jadhav S, Hermann EJ, Jones CK, Conn PJ, Lindsley CW, Stauffer SR.
PMID: 23308336
ACS Med Chem Lett. 2010 Nov 11;1(8):433-438. doi: 10.1021/ml100181a. Epub 2010 Aug 13.

This Letter describes the discovery, SAR and in vitro and in vivo pharmacological profile of a novel non-MPEP derived mGlu(5) positive allosteric modulator (PAM) based upon an N-aryl piperazine chemotype. This mGlu(5) chemotype exhibits the ability to act as...

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Zhou Y, Manka JT, Rodriguez AL, et al. Discovery of N-Aryl Piperazines as Selective mGlu(5) Potentiators with Efficacy in a Rodent Model Predictive of Anti-Psychotic Activity. ACS Med Chem Lett. 2010;1(8):433-438doi: 10.1021/ml100181a.
Zhou, Y., Manka, J. T., Rodriguez, A. L., Weaver, C. D., Days, E. L., Vinson, P. N., Jadhav, S., Hermann, E. J., Jones, C. K., Conn, P. J., Lindsley, C. W., & Stauffer, S. R. (2010). Discovery of N-Aryl Piperazines as Selective mGlu(5) Potentiators with Efficacy in a Rodent Model Predictive of Anti-Psychotic Activity. ACS medicinal chemistry letters, 1(8), 433-438. https://doi.org/10.1021/ml100181a
Zhou, Ya, et al. "Discovery of N-Aryl Piperazines as Selective mGlu(5) Potentiators with Efficacy in a Rodent Model Predictive of Anti-Psychotic Activity." ACS medicinal chemistry letters vol. 1,8 (2010): 433-438. doi: https://doi.org/10.1021/ml100181a
Zhou Y, Manka JT, Rodriguez AL, Weaver CD, Days EL, Vinson PN, Jadhav S, Hermann EJ, Jones CK, Conn PJ, Lindsley CW, Stauffer SR. Discovery of N-Aryl Piperazines as Selective mGlu(5) Potentiators with Efficacy in a Rodent Model Predictive of Anti-Psychotic Activity. ACS Med Chem Lett. 2010 Nov 11;1(8):433-438. doi: 10.1021/ml100181a. Epub 2010 Aug 13. PMID: 23308336; PMCID: PMC3539763.
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Discovery of VU2957 (Valiglurax): An mGlu.

ACS medicinal chemistry letters

Panarese JD, Engers DW, Wu YJ, Bronson JJ, Macor JE, Chun A, Rodriguez AL, Felts AS, Engers JL, Loch MT, Emmitte KA, Castelhano AL, Kates MJ, Nader MA, Jones CK, Blobaum AL, Conn PJ, Niswender CM, Hopkins CR, Lindsley CW.
PMID: 30891122
ACS Med Chem Lett. 2018 Oct 16;10(3):255-260. doi: 10.1021/acsmedchemlett.8b00426. eCollection 2019 Mar 14.

Herein, we report the discovery of a novel potent, selective, CNS penetrant, and orally bioavailable mGlu

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Panarese JD, Engers DW, Wu YJ, et al. Discovery of VU2957 (Valiglurax): An mGlu. ACS Med Chem Lett. 2018;10(3):255-260doi: 10.1021/acsmedchemlett.8b00426.
Panarese, J. D., Engers, D. W., Wu, Y. J., Bronson, J. J., Macor, J. E., Chun, A., Rodriguez, A. L., Felts, A. S., Engers, J. L., Loch, M. T., Emmitte, K. A., Castelhano, A. L., Kates, M. J., Nader, M. A., Jones, C. K., Blobaum, A. L., Conn, P. J., Niswender, C. M., Hopkins, C. R., & Lindsley, C. W. (2019). Discovery of VU2957 (Valiglurax): An mGlu. ACS medicinal chemistry letters, 10(3), 255-260. https://doi.org/10.1021/acsmedchemlett.8b00426
Panarese, Joseph D, et al. "Discovery of VU2957 (Valiglurax): An mGlu." ACS medicinal chemistry letters vol. 10,3 (2019): 255-260. doi: https://doi.org/10.1021/acsmedchemlett.8b00426
Panarese JD, Engers DW, Wu YJ, Bronson JJ, Macor JE, Chun A, Rodriguez AL, Felts AS, Engers JL, Loch MT, Emmitte KA, Castelhano AL, Kates MJ, Nader MA, Jones CK, Blobaum AL, Conn PJ, Niswender CM, Hopkins CR, Lindsley CW. Discovery of VU2957 (Valiglurax): An mGlu. ACS Med Chem Lett. 2018 Oct 16;10(3):255-260. doi: 10.1021/acsmedchemlett.8b00426. eCollection 2019 Mar 14. PMID: 30891122; PMCID: PMC6421540.
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Adopting ambulatory breast cancer surgery as the standard of care in an asian population.

International journal of breast cancer

Ng YY, Chan PM, Chen JJ, Seah MD, Teo C, Tan EY.
PMID: 25197577
Int J Breast Cancer. 2014;2014:672743. doi: 10.1155/2014/672743. Epub 2014 Aug 12.

Introduction. Ambulatory surgery is not commonly practiced in Asia. A 23-hour ambulatory (AS23) service was implemented at our institute in March 2004 to allow more surgeries to be performed as ambulatory procedures. In this study, we reviewed the impact...

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Ng YY, Chan PM, Chen JJ, et al. Adopting ambulatory breast cancer surgery as the standard of care in an asian population. Int J Breast Cancer. 2014;2014:672743doi: 10.1155/2014/672743.
Ng, Y. Y., Chan, P. M., Chen, J. J., Seah, M. D., Teo, C., & Tan, E. Y. (2014). Adopting ambulatory breast cancer surgery as the standard of care in an asian population. International journal of breast cancer, 2014672743. https://doi.org/10.1155/2014/672743
Ng, Yvonne Ying Ru, et al. "Adopting ambulatory breast cancer surgery as the standard of care in an asian population." International journal of breast cancer vol. 2014 (2014): 672743. doi: https://doi.org/10.1155/2014/672743
Ng YY, Chan PM, Chen JJ, Seah MD, Teo C, Tan EY. Adopting ambulatory breast cancer surgery as the standard of care in an asian population. Int J Breast Cancer. 2014;2014:672743. doi: 10.1155/2014/672743. Epub 2014 Aug 12. PMID: 25197577; PMCID: PMC4146347.
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Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals.

Journal of computational chemistry

Kazachenko S, Giovinazzo M, Hall KW, Cann NM.
PMID: 26174435
J Comput Chem. 2015 Sep 15;36(24):1787-804. doi: 10.1002/jcc.24000. Epub 2015 Jul 15.

A custom code for molecular dynamics simulations has been designed to run on CUDA-enabled NVIDIA graphics processing units (GPUs). The double-precision code simulates multicomponent fluids, with intramolecular and intermolecular forces, coarse-grained and atomistic models, holonomic constraints, Nosé-Hoover thermostats, and...

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Kazachenko S, Giovinazzo M, Hall KW, et al. Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals. J Comput Chem. 2015;36(24):1787-804doi: 10.1002/jcc.24000.
Kazachenko, S., Giovinazzo, M., Hall, K. W., & Cann, N. M. (2015). Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals. Journal of computational chemistry, 36(24), 1787-804. https://doi.org/10.1002/jcc.24000
Kazachenko, Sergey, et al. "Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals." Journal of computational chemistry vol. 36,24 (2015): 1787-804. doi: https://doi.org/10.1002/jcc.24000
Kazachenko S, Giovinazzo M, Hall KW, Cann NM. Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals. J Comput Chem. 2015 Sep 15;36(24):1787-804. doi: 10.1002/jcc.24000. Epub 2015 Jul 15. PMID: 26174435.
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The photoexcitation of crystalline ice and amorphous solid water: A molecular dynamics study of outcomes at 11 K and 125 K.

The Journal of chemical physics

Crouse J, Loock HP, Cann NM.
PMID: 26203031
J Chem Phys. 2015 Jul 21;143(3):034502. doi: 10.1063/1.4926666.

Photoexcitation of crystalline ice Ih and amorphous solid water at 7-9 eV is examined using molecular dynamics simulations and a fully flexible water model. The probabilities of photofragment desorption, trapping, and recombination are examined for crystalline ice at 11...

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Crouse J, Loock HP, Cann NM. The photoexcitation of crystalline ice and amorphous solid water: A molecular dynamics study of outcomes at 11 K and 125 K. J Chem Phys. 2015;143(3):034502doi: 10.1063/1.4926666.
Crouse, J., Loock, H. P., & Cann, N. M. (2015). The photoexcitation of crystalline ice and amorphous solid water: A molecular dynamics study of outcomes at 11 K and 125 K. The Journal of chemical physics, 143(3), 034502. https://doi.org/10.1063/1.4926666
Crouse, J, et al. "The photoexcitation of crystalline ice and amorphous solid water: A molecular dynamics study of outcomes at 11 K and 125 K." The Journal of chemical physics vol. 143,3 (2015): 034502. doi: https://doi.org/10.1063/1.4926666
Crouse J, Loock HP, Cann NM. The photoexcitation of crystalline ice and amorphous solid water: A molecular dynamics study of outcomes at 11 K and 125 K. J Chem Phys. 2015 Jul 21;143(3):034502. doi: 10.1063/1.4926666. PMID: 26203031.
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Showing 13 to 24 of 226 entries